Acetic Acid, 2-Amino-3-[4-[(2-Aminoacetyl)Amino]Phenyl]Propanoic Acid
[CAS# 5452-15-3]

Identification

• Name: Acetic Acid, 2-Amino-3-[4-[(2-Aminoacetyl)Amino]Phenyl]Propanoic Acid
• Synonyms: Acetic Acid; 2-Amino-3-[4-[(2-Amino-1-Oxoethyl)Amino]Phenyl]Propanoic Acid; Acetic Acid; 2-Amino-3-[4-(Glycylamino)Phenyl]Propionic Acid; 2-Amino-3-[4-(2-Aminoethanoylamino)Phenyl]Propanoic Acid; Ethanoic Acid
• Molecular Formula: C₁₃H₁₉N₃O₅
• Molecular Weight: 297.31
• CAS Registry Number: 5452-15-3
• SMILES: C1=C(NC(=O)CN)C=CC(=C1)CC(C(=O)O)N.CC(O)=O
• InChI: 1S/C11H15N3O3.C2H4O2/c12-6-10(15)14-8-3-1-7(2-4-8)5-9(13)11(16)17;1-2(3)4/h1-4,9H,5-6,12-13H2,(H,14,15)(H,16,17);1H3,(H,3,4)
• InChIKey: KVLXSEMQCLDJTF-UHFFFAOYSA-N

Properties

• Boiling point: 517.8°C at 760 mmHg (Cal.)
• Flash point: 266.9°C (Cal.)